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Network pharmacology integrated molecular docking demonstrates the therapeutic mode of Panax ginseng against ovarian cancer
被引:2
|作者:
Sun, Xiao-Fei
[1
]
Singh, Salam Pradeep
[2
]
机构:
[1] Beijing Jishuitan Hosp, Chinese Med Pharm, 31 Xinjiekou East St, Beijing 100035, Peoples R China
[2] Suchee Bioinformat Inst, Imphal West 795001, Manipur, India
关键词:
Ginseng;
Ovarian cancer;
Network pharmacology;
Docking;
Ginsenosides;
GINSENOSIDES;
D O I:
10.4314/tjpr.v22i3.16
中图分类号:
R9 [药学];
学科分类号:
1007 ;
摘要:
Purpose: To investigate the mode of action of the active ingredients of Panax ginseng against ovarian cancer protein targets elucidated using a network pharmacology approach and molecular docking study. Methods: An integrated protein-protein interactions (PPI) network targeting ovarian cancer and P. ginseng was constructed using a network pharmacology approach and molecular docking was carried out for the active constituents of P. ginseng against the target protein of P. ginseng. Results: Ninety-six compounds were used for the molecular docking simulation against five different proteins from a PPI network of proteins linked to ovarian cancer. The protein-ligand interaction showed strong molecular interaction at the active site of the proteins (p < 0.05). Conclusion: Ginsenosides and their derivatives present in P. ginseng successfully inhibit several key enzymes and proteins associated with ovarian cancer, which may act as potential therapeutic targets for the disease.
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页码:589 / 596
页数:8
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